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

Systemtic Name: 4-chloranyl-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-chloro-N-[6-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-chloro-N-[6-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-chloro-N-[6-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-chloro-N-[6-[4-(3-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=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CC=C4

InChI

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