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

Systemtic Name: 4-azanyl-N-phenethyl-9-(phenylmethyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-benzyl-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-phenethyl-9-(phenylmethyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-benzyl-N-phenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-benzyl-N-phenethyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)C(=N2)N

InChI

InChI=1S/C26H23N5O/c27-23-22-20-13-7-8-14-21(20)31(17-19-11-5-2-6-12-19)25(22)30-24(29-23)26(32)28-16-15-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,28,32)(H2,27,29,30)