1-ethyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-benzoylpiperazino)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H26N4O MolecularWeight: 374.47874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H26N4O/c1-2-21-19-11-7-6-10-18(19)20(16-24)22(25-21)26-12-14-27(15-13-26)23(28)17-8-4-3-5-9-17/h3-5,8-9H,2,6-7,10-15H2,1H3