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

Systemtic Name: 4-chloranyl-N-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-chloro-N-[6-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-chloro-N-[6-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-chloro-N-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-chloro-N-[6-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=N4

InChI

InChI=1S/C23H24ClN5O/c24-19-7-5-18(6-8-19)23(30)27-20-9-10-22(26-16-20)29-13-3-12-28(14-15-29)17-21-4-1-2-11-25-21/h1-2,4-11,16H,3,12-15,17H2,(H,27,30)