(2-methyl-6-phenyl-pyridin-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methyl-6-phenyl-pyridin-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-methyl-6-phenyl-3-pyridyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-methyl-6-phenyl-3-pyridinyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methyl-6-phenylpyridin-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-methyl-6-phenyl-3-pyridyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H25N3OS/c1-18-21(10-11-22(24-18)19-7-3-2-4-8-19)23(27)26-13-6-12-25(14-15-26)17-20-9-5-16-28-20/h2-5,7-11,16H,6,12-15,17H2,1H3