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

Systemtic Name: [6-(3-bromophenyl)-2-methyl-pyridin-3-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [6-(3-bromophenyl)-2-methyl-3-pyridyl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [6-(3-bromophenyl)-2-methyl-3-pyridinyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(3-bromophenyl)-2-methylpyridin-3-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [6-(3-bromophenyl)-2-methyl-3-pyridyl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C23H24BrN3OS MolecularWeight: 470.42516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3OS/c1-17-21(8-9-22(25-17)18-5-2-6-19(24)15-18)23(28)27-11-4-10-26(12-13-27)16-20-7-3-14-29-20/h2-3,5-9,14-15H,4,10-13,16H2,1H3