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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-fluorophenyl)carbonyl-pyrrolidin-3-yl]-3,3-dimethyl-N-phenethyl-butanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3,3-dimethyl-N-phenethyl-butanamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-fluorophenyl)-oxomethyl]-3-pyrrolidinyl]-3,3-dimethyl-N-phenethylbutanamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3,3-dimethyl-N-phenethylbutanamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3,3-dimethyl-N-phenethyl-butyramide Formula: C31H41FN4O3 MolecularWeight: 536.680643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=C(C=C3)F)C(=O)N4CCCNCC4

Isomeric SMILES

CC(C)(C)CC(=O)N(CCC1=CC=CC=C1)C2CC(N(C2)C(=O)C3=CC=C(C=C3)F)C(=O)N4CCCNCC4

InChI

InChI=1S/C31H41FN4O3/c1-31(2,3)21-28(37)35(18-14-23-8-5-4-6-9-23)26-20-27(30(39)34-17-7-15-33-16-19-34)36(22-26)29(38)24-10-12-25(32)13-11-24/h4-6,8-13,26-27,33H,7,14-22H2,1-3H3