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

Systemtic Name: 5-(azepan-1-yl)-1-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(azepan-1-yl)-1-isobutyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(1-azepanyl)-1-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(azepan-1-yl)-1-(2-methylpropyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(azepan-1-yl)-1-isobutyl-3H-1,4-benzodiazepin-2-one Formula: C19H27N3O MolecularWeight: 313.43718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O/c1-15(2)14-22-17-10-6-5-9-16(17)19(20-13-18(22)23)21-11-7-3-4-8-12-21/h5-6,9-10,15H,3-4,7-8,11-14H2,1-2H3