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

Systemtic Name: 2-methyl-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-methyl-N-[6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 2-methyl-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 2-methyl-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-methyl-N-[6-[4-(2-thenyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H26N4OS/c1-18-6-2-3-8-21(18)23(28)25-19-9-10-22(24-16-19)27-12-5-11-26(13-14-27)17-20-7-4-15-29-20/h2-4,6-10,15-16H,5,11-14,17H2,1H3,(H,25,28)