1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(9H-pyrido[3,4-b]indol-3-yl)urea

Systemtic Name: 1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(9H-pyrido[3,4-b]indol-3-yl)urea Openeye Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(9H-pyrido[3,4-b]indol-3-yl)urea CAS Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(9H-pyrido[3,4-b]indol-3-yl)urea IUPAC Name: 1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-1-(9H-pyrido[3,4-b]indol-3-yl)urea Traditional Name: 1-(9H-$b-carbolin-3-yl)-1-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C28H22N6O2 MolecularWeight: 474.51328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=NC=C4C(=C3)C5=CC=CC=C5N4)C(=O)N)C6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=NC=C4C(=C3)C5=CC=CC=C5N4)C(=O)N)C6=CC=CC=C6

InChI

InChI=1S/C28H22N6O2/c1-33-23-14-8-6-12-19(23)25(17-9-3-2-4-10-17)32-26(27(33)35)34(28(29)36)24-15-20-18-11-5-7-13-21(18)31-22(20)16-30-24/h2-16,26,31H,1H3,(H2,29,36)