5-[4-(phenylmethyl)piperazin-1-yl]-2,3,6,7-tetrahydro-1H-cyclopenta[c]phenanthrene-4-carbonitrile

Systemtic Name: 5-[4-(phenylmethyl)piperazin-1-yl]-2,3,6,7-tetrahydro-1H-cyclopenta[c]phenanthrene-4-carbonitrile Openeye Name: 5-(4-benzylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-cyclopenta[c]phenanthrene-4-carbonitrile CAS Name: 5-[4-(phenylmethyl)-1-piperazinyl]-2,3,6,7-tetrahydro-1H-cyclopenta[c]phenanthrene-4-carbonitrile IUPAC Name: 5-(4-benzylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-cyclopenta[c]phenanthrene-4-carbonitrile Traditional Name: 5-(4-benzylpiperazino)-2,3,6,7-tetrahydro-1H-cyclopenta[c]phenanthrene-4-carbonitrile Formula: C29H29N3 MolecularWeight: 419.56066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C3CCC4=CC=CC=C4C3=C2C1)N5CCN(CC5)CC6=CC=CC=C6)C#N

Isomeric SMILES

C1CC2=C(C(=C3CCC4=CC=CC=C4C3=C2C1)N5CCN(CC5)CC6=CC=CC=C6)C#N

InChI

InChI=1S/C29H29N3/c30-19-27-24-11-6-12-25(24)28-23-10-5-4-9-22(23)13-14-26(28)29(27)32-17-15-31(16-18-32)20-21-7-2-1-3-8-21/h1-5,7-10H,6,11-18,20H2