(phenylmethyl) N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: benzyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-nicotinoylpiperazino)phenyl]carbamic acid benzyl ester Formula: C30H34N6O4 MolecularWeight: 542.62876

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CN=CC=C4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H34N6O4/c37-28(35-14-5-12-31-13-15-35)24-9-10-27(26(20-24)33-30(39)40-22-23-6-2-1-3-7-23)34-16-18-36(19-17-34)29(38)25-8-4-11-32-21-25/h1-4,6-11,20-21,31H,5,12-19,22H2,(H,33,39)