(2-methylcyclohexa-2,5-dien-1-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-methylcyclohexa-2,5-dien-1-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-methylcyclohexa-2,5-dien-1-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-methyl-1-cyclohexa-2,5-dienyl)-[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-methylcyclohexa-2,5-dien-1-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-methylcyclohexa-2,5-dien-1-yl)-[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C19H25N3O MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC=CC1C(=O)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CC1=CCC=CC1C(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C19H25N3O/c1-16-7-2-3-9-18(16)19(23)22-12-6-11-21(13-14-22)15-17-8-4-5-10-20-17/h3-5,7-10,18H,2,6,11-15H2,1H3