1-(6-ethyl-2-methyl-quinolin-4-yl)carbonyl-4-(2-methylpropyl)-1,4-diazepan-5-one

Systemtic Name: 1-(6-ethyl-2-methyl-quinolin-4-yl)carbonyl-4-(2-methylpropyl)-1,4-diazepan-5-one Openeye Name: 1-(6-ethyl-2-methyl-quinoline-4-carbonyl)-4-isobutyl-1,4-diazepan-5-one CAS Name: 1-[(6-ethyl-2-methyl-4-quinolinyl)-oxomethyl]-4-(2-methylpropyl)-1,4-diazepan-5-one IUPAC Name: 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one Traditional Name: 1-(6-ethyl-2-methyl-quinoline-4-carbonyl)-4-isobutyl-1,4-diazepan-5-one Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC(=O)N(CC3)CC(C)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCC(=O)N(CC3)CC(C)C)C

InChI

InChI=1S/C22H29N3O2/c1-5-17-6-7-20-18(13-17)19(12-16(4)23-20)22(27)24-9-8-21(26)25(11-10-24)14-15(2)3/h6-7,12-13,15H,5,8-11,14H2,1-4H3