N-[[3-(4-azanylpiperidin-1-yl)carbonylphenyl]methyl]-3-(1H-imidazol-5-yl)-2-(propanoylamino)propanamide

Systemtic Name: N-[[3-(4-azanylpiperidin-1-yl)carbonylphenyl]methyl]-3-(1H-imidazol-5-yl)-2-(propanoylamino)propanamide Openeye Name: N-[[3-(4-aminopiperidine-1-carbonyl)phenyl]methyl]-3-(1H-imidazol-5-yl)-2-(propanoylamino)propanamide CAS Name: N-[[3-[(4-amino-1-piperidinyl)-oxomethyl]phenyl]methyl]-3-(1H-imidazol-5-yl)-2-(1-oxopropylamino)propanamide IUPAC Name: N-[[3-(4-aminopiperidine-1-carbonyl)phenyl]methyl]-3-(1H-imidazol-5-yl)-2-(propanoylamino)propanamide Traditional Name: N-[3-(4-aminopiperidine-1-carbonyl)benzyl]-3-(1H-imidazol-5-yl)-2-propionamido-propionamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC1=CN=CN1)C(=O)NCC2=CC=CC(=C2)C(=O)N3CCC(CC3)N

Isomeric SMILES

CCC(=O)NC(CC1=CN=CN1)C(=O)NCC2=CC=CC(=C2)C(=O)N3CCC(CC3)N

InChI

InChI=1S/C22H30N6O3/c1-2-20(29)27-19(11-18-13-24-14-26-18)21(30)25-12-15-4-3-5-16(10-15)22(31)28-8-6-17(23)7-9-28/h3-5,10,13-14,17,19H,2,6-9,11-12,23H2,1H3,(H,24,26)(H,25,30)(H,27,29)