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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-1-(4-methylphenyl)carbonyl-pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-N-(tetrahydrofuran-2-ylmethyl)cyclopropanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-1-[(4-methylphenyl)-oxomethyl]-3-pyrrolidinyl]-N-(2-oxolanylmethyl)cyclopropanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-1-p-toluoyl-pyrrolidin-3-yl]-N-(tetrahydrofurfuryl)cyclopropanecarboxamide Formula: C27H38N4O4 MolecularWeight: 482.61502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)C(=O)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCCNCC3)N(CC4CCCO4)C(=O)C5CC5

InChI

InChI=1S/C27H38N4O4/c1-19-5-7-20(8-6-19)26(33)31-17-22(16-24(31)27(34)29-13-3-11-28-12-14-29)30(25(32)21-9-10-21)18-23-4-2-15-35-23/h5-8,21-24,28H,2-4,9-18H2,1H3