1-(4-aminophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepin-4-one; 4-(8-methoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline

Systemtic Name: 1-(4-aminophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepin-4-one; 4-(8-methoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline Openeye Name: 1-(4-aminophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepin-4-one; 4-(8-methoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline CAS Name: 1-(4-aminophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepin-4-one; 4-(8-methoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline IUPAC Name: 1-(4-aminophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepin-4-one; 4-(8-methoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline Traditional Name: 1-(4-aminophenyl)-8-methoxy-3,5-dihydro-2,3-benzodiazepin-4-one; [4-(8-methoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)phenyl]amine Formula: C33H32N6O3 MolecularWeight: 560.64558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C(C1)C=CC(=C2)OC)C3=CC=C(C=C3)N.COC1=CC2=C(CC(=O)NN=C2C3=CC=C(C=C3)N)C=C1

Isomeric SMILES

CC1=NN=C(C2=C(C1)C=CC(=C2)OC)C3=CC=C(C=C3)N.COC1=CC2=C(CC(=O)NN=C2C3=CC=C(C=C3)N)C=C1

InChI

InChI=1S/C17H17N3O.C16H15N3O2/c1-11-9-13-5-8-15(21-2)10-16(13)17(20-19-11)12-3-6-14(18)7-4-12;1-21-13-7-4-11-8-15(20)18-19-16(14(11)9-13)10-2-5-12(17)6-3-10/h3-8,10H,9,18H2,1-2H3;2-7,9H,8,17H2,1H3,(H,18,20)