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

Systemtic Name: 2-methoxy-N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-methoxy-N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 2-methoxy-N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 2-methoxy-N-[6-[4-[(3-nitrophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-methoxy-N-[6-[4-(3-nitrobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4/c1-34-23-9-3-2-8-22(23)25(31)27-20-10-11-24(26-17-20)29-13-5-12-28(14-15-29)18-19-6-4-7-21(16-19)30(32)33/h2-4,6-11,16-17H,5,12-15,18H2,1H3,(H,27,31)