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

Systemtic Name: 3-methoxy-N-[6-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 3-methoxy-N-[6-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 3-methoxy-N-[6-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 3-methoxy-N-[6-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 3-methoxy-N-[6-[4-(3-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=CSC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CSC=C4

InChI

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