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

Systemtic Name: 4-azanyl-9-(3,4-dichlorophenyl)-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-(3,4-dichlorophenyl)-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(3,4-dichlorophenyl)-N-phenethyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(3,4-dichlorophenyl)-N-phenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(3,4-dichlorophenyl)-N-phenethyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C25H19Cl2N5O MolecularWeight: 476.35726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19Cl2N5O/c26-18-11-10-16(14-19(18)27)32-20-9-5-4-8-17(20)21-22(28)30-23(31-24(21)32)25(33)29-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,29,33)(H2,28,30,31)