4-methyl-N-[(1S)-1-phenylethyl]-3-(9H-pyrimido[4,5-b]indol-7-yl)benzamide

Systemtic Name: 4-methyl-N-[(1S)-1-phenylethyl]-3-(9H-pyrimido[4,5-b]indol-7-yl)benzamide Openeye Name: 4-methyl-N-[(1S)-1-phenylethyl]-3-(9H-pyrimido[4,5-b]indol-7-yl)benzamide CAS Name: 4-methyl-N-[(1S)-1-phenylethyl]-3-(9H-pyrimido[4,5-b]indol-7-yl)benzamide IUPAC Name: 4-methyl-N-[(1S)-1-phenylethyl]-3-(9H-pyrimido[4,5-b]indol-7-yl)benzamide Traditional Name: 4-methyl-N-[(1S)-1-phenylethyl]-3-(9H-pyrimid[4,5-b]indol-7-yl)benzamide Formula: C26H22N4O MolecularWeight: 406.47908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C)C2=CC=CC=C2)C3=CC4=C(C=C3)C5=CN=CN=C5N4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](C)C2=CC=CC=C2)C3=CC4=C(C=C3)C5=CN=CN=C5N4

InChI

InChI=1S/C26H22N4O/c1-16-8-9-20(26(31)29-17(2)18-6-4-3-5-7-18)12-22(16)19-10-11-21-23-14-27-15-28-25(23)30-24(21)13-19/h3-15,17H,1-2H3,(H,29,31)(H,27,28,30)/t17-/m0/s1