N-[6-[4-(4-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-benzamide

Systemtic Name: N-[6-[4-(4-chlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-benzamide Openeye Name: N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-benzamide CAS Name: N-[6-[4-[(4-chlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methylbenzamide IUPAC Name: N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-methylbenzamide Traditional Name: N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-benzamide Formula: C25H25ClN4O2 MolecularWeight: 448.9446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN4O2/c1-18-4-2-5-20(16-18)24(31)28-22-10-11-23(27-17-22)29-12-3-13-30(15-14-29)25(32)19-6-8-21(26)9-7-19/h2,4-11,16-17H,3,12-15H2,1H3,(H,28,31)