6-methoxy-1-oxidanylidene-4-phenyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]isoquinoline-3-carbonitrile

Systemtic Name: 6-methoxy-1-oxidanylidene-4-phenyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]isoquinoline-3-carbonitrile Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxy-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 6-methoxy-1-oxo-4-phenyl-2-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-3-isoquinolinecarbonitrile IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 2-[2-(4-benzylpiperazino)ethyl]-1-keto-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C30H30N4O2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)C#N)CCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O2/c1-36-25-12-13-26-27(20-25)29(24-10-6-3-7-11-24)28(21-31)34(30(26)35)19-18-32-14-16-33(17-15-32)22-23-8-4-2-5-9-23/h2-13,20H,14-19,22H2,1H3