N-[1-(1,3-benzodioxol-5-ylmethyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-3,3-dimethyl-N-[(3-methylphenyl)methyl]butanamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-3,3-dimethyl-N-[(3-methylphenyl)methyl]butanamide Openeye Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-(m-tolylmethyl)butanamide CAS Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-5-[oxo(1-piperazinyl)methyl]-3-pyrrolidinyl]-3,3-dimethyl-N-[(3-methylphenyl)methyl]butanamide IUPAC Name: N-[1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-3,3-dimethyl-N-[(3-methylphenyl)methyl]butanamide Traditional Name: 3,3-dimethyl-N-(3-methylbenzyl)-N-[5-(piperazine-1-carbonyl)-1-piperonyl-pyrrolidin-3-yl]butyramide Formula: C31H42N4O4 MolecularWeight: 534.68958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(C2CC(N(C2)CC3=CC4=C(C=C3)OCO4)C(=O)N5CCNCC5)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN(C2CC(N(C2)CC3=CC4=C(C=C3)OCO4)C(=O)N5CCNCC5)C(=O)CC(C)(C)C

InChI

InChI=1S/C31H42N4O4/c1-22-6-5-7-23(14-22)19-35(29(36)17-31(2,3)4)25-16-26(30(37)33-12-10-32-11-13-33)34(20-25)18-24-8-9-27-28(15-24)39-21-38-27/h5-9,14-15,25-26,32H,10-13,16-21H2,1-4H3