[4-(3-azanylpropyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone

Systemtic Name: [4-(3-azanylpropyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(p-tolyl)methanone CAS Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone IUPAC Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-(3-aminopropyl)-1,4-diazepan-1-yl]-(p-tolyl)methanone Formula: C16H25N3O MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-14-4-6-15(7-5-14)16(20)19-11-3-10-18(12-13-19)9-2-8-17/h4-7H,2-3,8-13,17H2,1H3