4-azanyl-N-phenethyl-9-phenyl-pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-N-phenethyl-9-phenyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-phenethyl-9-phenyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-phenethyl-9-phenyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-phenethyl-9-phenylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-N-phenethyl-9-phenyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C25H21N5O MolecularWeight: 407.46714

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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=CC=C5)C(=N2)N

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O/c26-22-21-19-13-7-8-14-20(19)30(18-11-5-2-6-12-18)24(21)29-23(28-22)25(31)27-16-15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,27,31)(H2,26,28,29)