N-(1,3-benzodioxol-5-yl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(7-phenyl-4-pteridinyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(7-phenylpteridin-4-yl)isonipecotamide Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=NC=NC5=NC(=CN=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=NC=NC5=NC(=CN=C54)C6=CC=CC=C6

InChI

InChI=1S/C25H22N6O3/c32-25(29-18-6-7-20-21(12-18)34-15-33-20)17-8-10-31(11-9-17)24-22-23(27-14-28-24)30-19(13-26-22)16-4-2-1-3-5-16/h1-7,12-14,17H,8-11,15H2,(H,29,32)