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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=NC=C2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)OCC5=CC=CC=C5

InChI

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