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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClN5O/c25-16-10-12-17(13-11-16)30-19-9-5-4-8-18(19)20-21(26)28-22(29-23(20)30)24(31)27-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,27,31)(H2,26,28,29)