2-chloranyl-N-[6-[4-(2-oxidanyl-2-phenyl-ethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[6-[4-(2-oxidanyl-2-phenyl-ethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 2-chloro-N-[6-[4-(2-hydroxy-2-phenyl-ethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 2-chloro-N-[6-[4-(2-hydroxy-2-phenylethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 2-chloro-N-[6-[4-(2-hydroxy-2-phenylethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 2-chloro-N-[6-[4-(2-hydroxy-2-phenyl-ethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)CC(C4=CC=CC=C4)O

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CC=C3Cl)CC(C4=CC=CC=C4)O

InChI

InChI=1S/C25H27ClN4O2/c26-22-10-5-4-9-21(22)25(32)28-20-11-12-24(27-17-20)30-14-6-13-29(15-16-30)18-23(31)19-7-2-1-3-8-19/h1-5,7-12,17,23,31H,6,13-16,18H2,(H,28,32)