N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenyl-ethanamide

Systemtic Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenyl-ethanamide Openeye Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-acetamide CAS Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide IUPAC Name: N-[6-[4-[(4-dimethylaminophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenylacetamide Traditional Name: N-[6-[4-[4-(dimethylamino)benzyl]-1,4-diazepan-1-yl]-3-pyridyl]-2-phenyl-acetamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N5O/c1-30(2)25-12-9-23(10-13-25)21-31-15-6-16-32(18-17-31)26-14-11-24(20-28-26)29-27(33)19-22-7-4-3-5-8-22/h3-5,7-14,20H,6,15-19,21H2,1-2H3,(H,29,33)