N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-methylphenyl)carbonyl-pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-methylphenyl)carbonyl-pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-2-methyl-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-methylphenyl)-oxomethyl]-3-pyrrolidinyl]-2-methyl-N-(2-oxolanylmethyl)propanamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-p-toluoyl-pyrrolidin-3-yl]-2-methyl-N-(tetrahydrofurfuryl)propionamide Formula: C27H40N4O4 MolecularWeight: 484.6309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)C(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)C(=O)C(C)C

InChI

InChI=1S/C27H40N4O4/c1-19(2)25(32)30(18-23-6-4-15-35-23)22-16-24(27(34)29-13-5-11-28-12-14-29)31(17-22)26(33)21-9-7-20(3)8-10-21/h7-10,19,22-24,28H,4-6,11-18H2,1-3H3