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

Systemtic Name: 4-azanyl-9-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenethyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenethyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenethylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-homoveratryl-N-phenethyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCCC5=CC=CC=C5)OC

InChI

InChI=1S/C29H29N5O3/c1-36-23-13-12-20(18-24(23)37-2)15-17-34-22-11-7-6-10-21(22)25-26(30)32-27(33-28(25)34)29(35)31-16-14-19-8-4-3-5-9-19/h3-13,18H,14-17H2,1-2H3,(H,31,35)(H2,30,32,33)