4-(2-cyclopropylquinolin-4-yl)carbonyl-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(2-cyclopropylquinolin-4-yl)carbonyl-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(2-cyclopropylquinoline-4-carbonyl)-1-isobutyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(2-cyclopropyl-4-quinolinyl)-oxomethyl]-1-(2-methylpropyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(2-cyclopropylquinoline-4-carbonyl)-1-(2-methylpropyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(2-cyclopropylquinoline-4-carbonyl)-1-isobutyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)OCC5=CN=CC=C5

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)OCC5=CN=CC=C5

InChI

InChI=1S/C28H32N4O3/c1-19(2)14-31-15-22(35-18-20-6-5-11-29-13-20)16-32(17-27(31)33)28(34)24-12-26(21-9-10-21)30-25-8-4-3-7-23(24)25/h3-8,11-13,19,21-22H,9-10,14-18H2,1-2H3