(4-aminophenyl)methyl N-[[4-[(2-azanylpyridin-3-yl)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: (4-aminophenyl)methyl N-[[4-[(2-azanylpyridin-3-yl)carbamoyl]phenyl]methyl]carbamate Openeye Name: (4-aminophenyl)methyl N-[[4-[(2-amino-3-pyridyl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(2-amino-3-pyridinyl)amino]-oxomethyl]phenyl]methyl]carbamic acid (4-aminophenyl)methyl ester IUPAC Name: (4-aminophenyl)methyl N-[[4-[(2-aminopyridin-3-yl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(2-amino-3-pyridyl)carbamoyl]benzyl]carbamic acid (4-aminobenzyl) ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CC=C(C=C3)N

Isomeric SMILES

C1=CC(=C(N=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CC=C(C=C3)N

InChI

InChI=1S/C21H21N5O3/c22-17-9-5-15(6-10-17)13-29-21(28)25-12-14-3-7-16(8-4-14)20(27)26-18-2-1-11-24-19(18)23/h1-11H,12-13,22H2,(H2,23,24)(H,25,28)(H,26,27)