N-[[4-[(aminocarbonylamino)methyl]phenyl]methyl]-3-(2-azanylpyridin-4-yl)-2-(2,2-diphenylethanoylamino)propanamide

Systemtic Name: N-[[4-[(aminocarbonylamino)methyl]phenyl]methyl]-3-(2-azanylpyridin-4-yl)-2-(2,2-diphenylethanoylamino)propanamide Openeye Name: 3-(2-amino-4-pyridyl)-2-[(2,2-diphenylacetyl)amino]-N-[[4-(ureidomethyl)phenyl]methyl]propanamide CAS Name: 3-(2-amino-4-pyridinyl)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: 3-(2-aminopyridin-4-yl)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-2-[(2,2-diphenylacetyl)amino]propanamide Traditional Name: 3-(2-amino-4-pyridyl)-2-[(2,2-diphenylacetyl)amino]-N-[4-(ureidomethyl)benzyl]propionamide Formula: C31H32N6O3 MolecularWeight: 536.62418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CC3=CC(=NC=C3)N)C(=O)NCC4=CC=C(C=C4)CNC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CC3=CC(=NC=C3)N)C(=O)NCC4=CC=C(C=C4)CNC(=O)N

InChI

InChI=1S/C31H32N6O3/c32-27-18-23(15-16-34-27)17-26(29(38)35-19-21-11-13-22(14-12-21)20-36-31(33)40)37-30(39)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-16,18,26,28H,17,19-20H2,(H2,32,34)(H,35,38)(H,37,39)(H3,33,36,40)