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

Systemtic Name: methyl N-[3-[[3-azanylpropyl-(4-cyanophenyl)carbonyl-amino]methyl]phenyl]carbamate Openeye Name: methyl N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]carbamate CAS Name: N-[3-[[3-aminopropyl-[(4-cyanophenyl)-oxomethyl]amino]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]carbamate Traditional Name: N-[3-[[3-aminopropyl-(4-cyanobenzoyl)amino]methyl]phenyl]carbamic acid methyl ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=CC(=C1)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)NC1=CC=CC(=C1)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H22N4O3/c1-27-20(26)23-18-5-2-4-16(12-18)14-24(11-3-10-21)19(25)17-8-6-15(13-22)7-9-17/h2,4-9,12H,3,10-11,14,21H2,1H3,(H,23,26)