ethyl (Z)-4-(dimethylamino)-3-(phenylcarbonyl)-2-(4-phenylpiperazin-1-yl)but-3-enoate

Systemtic Name: ethyl (Z)-4-(dimethylamino)-3-(phenylcarbonyl)-2-(4-phenylpiperazin-1-yl)but-3-enoate Openeye Name: ethyl (Z)-3-benzoyl-4-(dimethylamino)-2-(4-phenylpiperazin-1-yl)but-3-enoate CAS Name: (Z)-3-benzoyl-4-(dimethylamino)-2-(4-phenyl-1-piperazinyl)-3-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-benzoyl-4-(dimethylamino)-2-(4-phenylpiperazin-1-yl)but-3-enoate Traditional Name: (Z)-3-benzoyl-4-(dimethylamino)-2-(4-phenylpiperazino)but-3-enoic acid ethyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=CN(C)C)C(=O)C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(/C(=C/N(C)C)/C(=O)C1=CC=CC=C1)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O3/c1-4-31-25(30)23(22(19-26(2)3)24(29)20-11-7-5-8-12-20)28-17-15-27(16-18-28)21-13-9-6-10-14-21/h5-14,19,23H,4,15-18H2,1-3H3/b22-19-