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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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