5-(azepan-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(azepan-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(azepan-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(1-azepanyl)-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(azepan-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(azepan-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=CC=CC=C21)N3CCCCCC3

Isomeric SMILES

CN1C(=O)CN=C(C2=CC=CC=C21)N3CCCCCC3

InChI

InChI=1S/C16H21N3O/c1-18-14-9-5-4-8-13(14)16(17-12-15(18)20)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3