(3E)-4-azanyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxidanylidene-N-(phenylmethyl)quinoline-6-carboxamide

Systemtic Name: (3E)-4-azanyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxidanylidene-N-(phenylmethyl)quinoline-6-carboxamide Openeye Name: (3E)-4-amino-N-benzyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-quinoline-6-carboxamide CAS Name: (3E)-4-amino-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-N-(phenylmethyl)-6-quinolinecarboxamide IUPAC Name: (3E)-4-amino-N-benzyl-3-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]-2-oxoquinoline-6-carboxamide Traditional Name: (3E)-4-amino-N-benzyl-2-keto-3-[5-(4-methylpiperazino)-1,3-dihydrobenzimidazol-2-ylidene]quinoline-6-carboxamide Formula: C29H29N7O2 MolecularWeight: 507.58626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C=C(C=CC5=NC4=O)C(=O)NCC6=CC=CC=C6)N)N3

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C\4/C(=C5C=C(C=CC5=NC4=O)C(=O)NCC6=CC=CC=C6)N)/N3

InChI

InChI=1S/C29H29N7O2/c1-35-11-13-36(14-12-35)20-8-10-23-24(16-20)33-27(32-23)25-26(30)21-15-19(7-9-22(21)34-29(25)38)28(37)31-17-18-5-3-2-4-6-18/h2-10,15-16,32-33H,11-14,17,30H2,1H3,(H,31,37)/b27-25+