3-[(E)-2-aminocarbonyl-1-piperazin-1-yl-hex-1-enyl]-N,N-diphenyl-pyridine-4-carboxamide

Systemtic Name: 3-[(E)-2-aminocarbonyl-1-piperazin-1-yl-hex-1-enyl]-N,N-diphenyl-pyridine-4-carboxamide Openeye Name: 3-[(E)-2-carbamoyl-1-piperazin-1-yl-hex-1-enyl]-N,N-diphenyl-pyridine-4-carboxamide CAS Name: 3-[(E)-2-carbamoyl-1-(1-piperazinyl)hex-1-enyl]-N,N-diphenyl-4-pyridinecarboxamide IUPAC Name: 3-[(E)-2-carbamoyl-1-piperazin-1-ylhex-1-enyl]-N,N-diphenylpyridine-4-carboxamide Traditional Name: 3-[(E)-2-carbamoyl-1-piperazino-hex-1-enyl]-N,N-diphenyl-isonicotinamide Formula: C29H33N5O2 MolecularWeight: 483.60462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1=C(C=CN=C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)N4CCNCC4)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=C(C=CN=C1)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)\N4CCNCC4)/C(=O)N

InChI

InChI=1S/C29H33N5O2/c1-2-3-14-25(28(30)35)27(33-19-17-31-18-20-33)26-21-32-16-15-24(26)29(36)34(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,15-16,21,31H,2-3,14,17-20H2,1H3,(H2,30,35)/b27-25+