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

Systemtic Name: 3-methoxy-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 3-methoxy-N-[6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 3-methoxy-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 3-methoxy-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 3-methoxy-N-[6-[4-(2-thenyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H26N4O2S/c1-29-20-6-2-5-18(15-20)23(28)25-19-8-9-22(24-16-19)27-11-4-10-26(12-13-27)17-21-7-3-14-30-21/h2-3,5-9,14-16H,4,10-13,17H2,1H3,(H,25,28)