2-(4-methoxyphenyl)carbonyl-4-[4-(phenylmethyl)piperazin-1-yl]but-3-enenitrile

Systemtic Name: 2-(4-methoxyphenyl)carbonyl-4-[4-(phenylmethyl)piperazin-1-yl]but-3-enenitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-2-(4-methoxybenzoyl)but-3-enenitrile CAS Name: 2-[(4-methoxyphenyl)-oxomethyl]-4-[4-(phenylmethyl)-1-piperazinyl]-3-butenenitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2-(4-methoxybenzoyl)but-3-enenitrile Traditional Name: 4-(4-benzylpiperazino)-2-p-anisoyl-but-3-enenitrile Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C=CN2CCN(CC2)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(C=CN2CCN(CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H25N3O2/c1-28-22-9-7-20(8-10-22)23(27)21(17-24)11-12-25-13-15-26(16-14-25)18-19-5-3-2-4-6-19/h2-12,21H,13-16,18H2,1H3