2-[4-oxidanylidene-3-(phenylmethyl)pyrimido[5,4-b]indol-5-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)pyrimido[5,4-b]indol-5-yl]-N-phenethyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-pyrimido[5,4-b]indol-5-yl)-N-phenethyl-acetamide CAS Name: 2-[4-oxo-3-(phenylmethyl)-5-pyrimido[5,4-b]indolyl]-N-phenethylacetamide IUPAC Name: 2-(3-benzyl-4-oxopyrimido[5,4-b]indol-5-yl)-N-phenethylacetamide Traditional Name: 2-(3-benzyl-4-keto-pyrimid[5,4-b]indol-5-yl)-N-phenethyl-acetamide Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3C4=C2C(=O)N(C=N4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3C4=C2C(=O)N(C=N4)CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2/c32-24(28-16-15-20-9-3-1-4-10-20)18-31-23-14-8-7-13-22(23)25-26(31)27(33)30(19-29-25)17-21-11-5-2-6-12-21/h1-14,19H,15-18H2,(H,28,32)