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

Systemtic Name: 3-methoxy-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 3-methoxy-N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 3-methoxy-N-[6-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 3-methoxy-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 3-methoxy-N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-31-22-7-2-6-20(15-22)24(30)27-21-8-9-23(26-17-21)29-12-4-11-28(13-14-29)18-19-5-3-10-25-16-19/h2-3,5-10,15-17H,4,11-14,18H2,1H3,(H,27,30)