3,3-dimethyl-N-[1-(4-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-N-phenethyl-butanamide

Systemtic Name: 3,3-dimethyl-N-[1-(4-methylphenyl)carbonyl-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-N-phenethyl-butanamide Openeye Name: 3,3-dimethyl-N-[1-(4-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-phenethyl-butanamide CAS Name: 3,3-dimethyl-N-[1-[(4-methylphenyl)-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl]-N-phenethylbutanamide IUPAC Name: 3,3-dimethyl-N-[1-(4-methylbenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-phenethylbutanamide Traditional Name: 3,3-dimethyl-N-phenethyl-N-[5-(piperazine-1-carbonyl)-1-p-toluoyl-pyrrolidin-3-yl]butyramide Formula: C31H42N4O3 MolecularWeight: 518.69018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CCC4=CC=CC=C4)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CCC4=CC=CC=C4)C(=O)CC(C)(C)C

InChI

InChI=1S/C31H42N4O3/c1-23-10-12-25(13-11-23)29(37)35-22-26(20-27(35)30(38)33-18-15-32-16-19-33)34(28(36)21-31(2,3)4)17-14-24-8-6-5-7-9-24/h5-13,26-27,32H,14-22H2,1-4H3