N-[1-cyclopropylcarbonyl-5-(1,4-diazepan-1-ylcarbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[1-cyclopropylcarbonyl-5-(1,4-diazepan-1-ylcarbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-butanamide Openeye Name: N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-butanamide CAS Name: N-[1-[cyclopropyl(oxo)methyl]-5-[1,4-diazepan-1-yl(oxo)methyl]-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide IUPAC Name: N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide Traditional Name: N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-m-anisyl-3,3-dimethyl-butyramide Formula: C28H42N4O4 MolecularWeight: 498.65748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)OC)C2CC(N(C2)C(=O)C3CC3)C(=O)N4CCCNCC4

Isomeric SMILES

CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)OC)C2CC(N(C2)C(=O)C3CC3)C(=O)N4CCCNCC4

InChI

InChI=1S/C28H42N4O4/c1-28(2,3)17-25(33)31(18-20-7-5-8-23(15-20)36-4)22-16-24(32(19-22)26(34)21-9-10-21)27(35)30-13-6-11-29-12-14-30/h5,7-8,15,21-22,24,29H,6,9-14,16-19H2,1-4H3