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

Systemtic Name: (phenylmethyl) N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]carbamate Openeye Name: benzyl N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamate CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamate Traditional Name: N-[2-[4-(cyclopropanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]carbamic acid benzyl ester Formula: C28H35N5O4 MolecularWeight: 505.6086

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H35N5O4/c34-26(22-7-8-22)33-17-15-31(16-18-33)25-10-9-23(27(35)32-13-4-11-29-12-14-32)19-24(25)30-28(36)37-20-21-5-2-1-3-6-21/h1-3,5-6,9-10,19,22,29H,4,7-8,11-18,20H2,(H,30,36)