4-(4-phenethylpiperazin-1-yl)-2-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile

Systemtic Name: 4-(4-phenethylpiperazin-1-yl)-2-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile Openeye Name: 4-(4-phenethylpiperazin-1-yl)-2-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile CAS Name: 4-(4-phenethyl-1-piperazinyl)-2-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile IUPAC Name: 4-(4-phenethylpiperazin-1-yl)-2-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile Traditional Name: 4-(4-phenethylpiperazino)-2-phenyl-6,7,8,9-tetrahydropyrimid[4,5-b]indolizine-10-carbonitrile Formula: C29H30N6 MolecularWeight: 462.5887

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=C(C3=C2C(=NC(=N3)C4=CC=CC=C4)N5CCN(CC5)CCC6=CC=CC=C6)C#N)C1

Isomeric SMILES

C1CCN2C(=C(C3=C2C(=NC(=N3)C4=CC=CC=C4)N5CCN(CC5)CCC6=CC=CC=C6)C#N)C1

InChI

InChI=1S/C29H30N6/c30-21-24-25-13-7-8-15-35(25)27-26(24)31-28(23-11-5-2-6-12-23)32-29(27)34-19-17-33(18-20-34)16-14-22-9-3-1-4-10-22/h1-6,9-12H,7-8,13-20H2