3-(4-methoxyphenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine Openeye Name: 3-(4-methoxyphenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine CAS Name: 3-(4-methoxyphenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-1H-1,5-benzodiazepin-4-amine Traditional Name: [3-(4-methoxyphenyl)-2-methyl-1H-1,5-benzodiazepin-4-yl]amine Formula: C17H17N3O MolecularWeight: 279.33638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C2N1)N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C2N1)N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H17N3O/c1-11-16(12-7-9-13(21-2)10-8-12)17(18)20-15-6-4-3-5-14(15)19-11/h3-10,19H,1-2H3,(H2,18,20)