3-[4-[(2Z)-2-[4-[[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanyl-ethyl]amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[(2Z)-2-[4-[[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanyl-ethyl]amino]-2-oxidanylidene-pyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-[(2Z)-2-[4-[[2-(3-bromo-4-methoxy-phenyl)-2-hydroxy-ethyl]amino]-2-oxo-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[(2Z)-2-[4-[[2-(3-bromo-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-3-pyridinylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[(2Z)-2-[4-[[2-(3-bromo-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxopyridin-3-ylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[(2Z)-2-[4-[[2-(3-bromo-4-methoxy-phenyl)-2-hydroxy-ethyl]amino]-2-keto-3-pyridylidene]-7-methyl-1,3-dihydrobenzimidazol-5-yl]piperazino]propionitrile Formula: C29H32BrN7O3 MolecularWeight: 606.51348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC(=C(C=C4)OC)Br)O)N2)N5CCN(CC5)CCC#N

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)NCC(C4=CC(=C(C=C4)OC)Br)O)/N2)N5CCN(CC5)CCC#N

InChI

InChI=1S/C29H32BrN7O3/c1-18-14-20(37-12-10-36(11-13-37)9-3-7-31)16-23-27(18)35-28(34-23)26-22(6-8-32-29(26)39)33-17-24(38)19-4-5-25(40-2)21(30)15-19/h4-6,8,14-16,24,33-35,38H,3,9-13,17H2,1-2H3/b28-26-