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

Systemtic Name: (phenylmethyl) N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: benzyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-isonicotinoylpiperazino)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=CC=NC=C4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

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

InChI

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