4-azanyl-9-(3-chlorophenyl)-N-(4-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-9-(3-chlorophenyl)-N-(4-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-(3-chlorophenyl)-N-(p-tolyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(3-chlorophenyl)-N-(4-methylphenyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(3-chlorophenyl)-N-(4-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(3-chlorophenyl)-N-(p-tolyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C24H18ClN5O MolecularWeight: 427.88562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC(=CC=C5)Cl)C(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC(=CC=C5)Cl)C(=N2)N

InChI

InChI=1S/C24H18ClN5O/c1-14-9-11-16(12-10-14)27-24(31)22-28-21(26)20-18-7-2-3-8-19(18)30(23(20)29-22)17-6-4-5-15(25)13-17/h2-13H,1H3,(H,27,31)(H2,26,28,29)