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

Systemtic Name: 2-(4-phenylpiperazin-1-yl)ethyl (Z)-3-(4-chlorophenyl)carbonyl-4-(dimethylamino)but-3-enoate Openeye Name: 2-(4-phenylpiperazin-1-yl)ethyl (Z)-3-(4-chlorobenzoyl)-4-(dimethylamino)but-3-enoate CAS Name: (Z)-3-[(4-chlorophenyl)-oxomethyl]-4-(dimethylamino)-3-butenoic acid 2-(4-phenyl-1-piperazinyl)ethyl ester IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl (Z)-3-(4-chlorobenzoyl)-4-(dimethylamino)but-3-enoate Traditional Name: (Z)-3-(4-chlorobenzoyl)-4-(dimethylamino)but-3-enoic acid 2-(4-phenylpiperazino)ethyl ester Formula: C25H30ClN3O3 MolecularWeight: 455.977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(CC(=O)OCCN1CCN(CC1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)/C=C(/CC(=O)OCCN1CCN(CC1)C2=CC=CC=C2)\C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H30ClN3O3/c1-27(2)19-21(25(31)20-8-10-22(26)11-9-20)18-24(30)32-17-16-28-12-14-29(15-13-28)23-6-4-3-5-7-23/h3-11,19H,12-18H2,1-2H3/b21-19-