[4-(3-azanyl-2-methyl-propyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-(3-azanyl-2-methyl-propyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-(3-amino-2-methyl-propyl)-1,4-diazepan-1-yl]-(p-tolyl)methanone CAS Name: [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone IUPAC Name: [4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-(3-amino-2-methyl-propyl)-1,4-diazepan-1-yl]-(p-tolyl)methanone Formula: C17H27N3O MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC(C)CN

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC(C)CN

InChI

InChI=1S/C17H27N3O/c1-14-4-6-16(7-5-14)17(21)20-9-3-8-19(10-11-20)13-15(2)12-18/h4-7,15H,3,8-13,18H2,1-2H3