(phenylmethyl) N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]carbamate Openeye Name: benzyl N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]carbamate CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]carbamate Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]carbamic acid benzyl ester Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H26N4O3/c27-14-5-15-30(25(31)23-12-10-20(17-28)11-13-23)18-22-8-4-9-24(16-22)29-26(32)33-19-21-6-2-1-3-7-21/h1-4,6-13,16H,5,14-15,18-19,27H2,(H,29,32)