4-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 4-cyano-N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]benzamide Openeye Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide CAS Name: 4-cyano-N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 4-cyano-N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)piperazino]phenyl]benzamide Formula: C29H30N6O3S MolecularWeight: 542.6519

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H30N6O3S/c30-20-21-4-6-22(7-5-21)27(36)32-24-19-23(28(37)34-12-2-10-31-11-13-34)8-9-25(24)33-14-16-35(17-15-33)29(38)26-3-1-18-39-26/h1,3-9,18-19,31H,2,10-17H2,(H,32,36)