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

Systemtic Name: 4-tert-butyl-N-[6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide CAS Name: 4-tert-butyl-N-[6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide IUPAC Name: 4-tert-butyl-N-[6-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[6-[4-(4-chlorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide Formula: C28H33ClN4O MolecularWeight: 477.04082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H33ClN4O/c1-28(2,3)23-9-7-22(8-10-23)27(34)31-25-13-14-26(30-19-25)33-16-4-15-32(17-18-33)20-21-5-11-24(29)12-6-21/h5-14,19H,4,15-18,20H2,1-3H3,(H,31,34)