2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-(1-phenylethyl)benzamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-(1-phenylethyl)benzamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-(1-phenylethyl)benzamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazinyl]-5-[(3-methyl-1-oxobutyl)amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-methylbutanoylamino)-N-(1-phenylethyl)benzamide Traditional Name: 5-(isovalerylamino)-2-[4-(2-methoxyphenyl)piperazino]-N-(1-phenylethyl)benzamide Formula: C31H38N4O3 MolecularWeight: 514.65842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C31H38N4O3/c1-22(2)20-30(36)33-25-14-15-27(26(21-25)31(37)32-23(3)24-10-6-5-7-11-24)34-16-18-35(19-17-34)28-12-8-9-13-29(28)38-4/h5-15,21-23H,16-20H2,1-4H3,(H,32,37)(H,33,36)