(7-fluoranyl-2-methyl-quinolin-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (7-fluoranyl-2-methyl-quinolin-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (7-fluoro-2-methyl-4-quinolyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (7-fluoro-2-methyl-4-quinolinyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (7-fluoro-2-methylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (7-fluoro-2-methyl-4-quinolyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C21H22FN3OS MolecularWeight: 383.482283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H22FN3OS/c1-15-12-19(18-6-5-16(22)13-20(18)23-15)21(26)25-8-3-7-24(9-10-25)14-17-4-2-11-27-17/h2,4-6,11-13H,3,7-10,14H2,1H3