4-[4-[4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)phenyl]carbonylpiperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-[4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)phenyl]carbonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-[4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzoyl]piperazin-1-yl]butanenitrile CAS Name: 4-[4-[[4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)phenyl]-oxomethyl]-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-[4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzoyl]piperazin-1-yl]butanenitrile Traditional Name: 4-[4-[4-(7-methoxy-4,5-dihydro-1H-benz[g]indazol-3-yl)benzoyl]piperazino]butyronitrile Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C(=NN3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)CCCC#N

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C(=NN3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)CCCC#N

InChI

InChI=1S/C27H29N5O2/c1-34-22-9-11-23-21(18-22)8-10-24-25(29-30-26(23)24)19-4-6-20(7-5-19)27(33)32-16-14-31(15-17-32)13-3-2-12-28/h4-7,9,11,18H,2-3,8,10,13-17H2,1H3,(H,29,30)