2-azanyl-N-[1-(4-butanoyl-4-phenyl-piperidin-1-yl)-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-3-(1H-imidazol-5-yl)propanamide

Systemtic Name: 2-azanyl-N-[1-(4-butanoyl-4-phenyl-piperidin-1-yl)-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-3-(1H-imidazol-5-yl)propanamide Openeye Name: 2-amino-N-[2-(4-butanoyl-4-phenyl-1-piperidyl)-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]-3-(1H-imidazol-5-yl)propanamide CAS Name: 2-amino-3-(1H-imidazol-5-yl)-N-[3-(4-methoxyphenyl)-1-oxo-1-[4-(1-oxobutyl)-4-phenyl-1-piperidinyl]propan-2-yl]propanamide IUPAC Name: 2-amino-N-[1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(1H-imidazol-5-yl)propanamide Traditional Name: 2-amino-N-[2-(4-butyryl-4-phenyl-piperidino)-2-keto-1-p-anisyl-ethyl]-3-(1H-imidazol-5-yl)propionamide Formula: C31H39N5O4 MolecularWeight: 545.67246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)C(CC3=CN=CN3)N)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)C(CC3=CN=CN3)N)C4=CC=CC=C4

InChI

InChI=1S/C31H39N5O4/c1-3-7-28(37)31(23-8-5-4-6-9-23)14-16-36(17-15-31)30(39)27(18-22-10-12-25(40-2)13-11-22)35-29(38)26(32)19-24-20-33-21-34-24/h4-6,8-13,20-21,26-27H,3,7,14-19,32H2,1-2H3,(H,33,34)(H,35,38)