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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C2=NCC(=NC3=CC=CC=C32)N

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C2=NCC(=NC3=CC=CC=C32)N

InChI

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