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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(7-phenyl-4-pteridinyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(7-phenylpteridin-4-yl)piperidine-4-carboxamide Traditional Name: 1-(7-phenylpteridin-4-yl)-N-piperonyl-isonipecotamide Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=NC5=NC(=CN=C54)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=NC5=NC(=CN=C54)C6=CC=CC=C6

InChI

InChI=1S/C26H24N6O3/c33-26(28-13-17-6-7-21-22(12-17)35-16-34-21)19-8-10-32(11-9-19)25-23-24(29-15-30-25)31-20(14-27-23)18-4-2-1-3-5-18/h1-7,12,14-15,19H,8-11,13,16H2,(H,28,33)