N-(piperidin-4-ylmethyl)-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]quinoxaline-6-carboxamide

Systemtic Name: N-(piperidin-4-ylmethyl)-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]quinoxaline-6-carboxamide Openeye Name: N-(4-piperidylmethyl)-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]quinoxaline-6-carboxamide CAS Name: N-(4-piperidinylmethyl)-N-[2-(3-pyrrolidinylamino)-4-pyrimidinyl]-6-quinoxalinecarboxamide IUPAC Name: N-(piperidin-4-ylmethyl)-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]quinoxaline-6-carboxamide Traditional Name: N-(4-piperidylmethyl)-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]quinoxaline-6-carboxamide Formula: C23H28N8O MolecularWeight: 432.52142

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CN(C2=NC(=NC=C2)NC3CCNC3)C(=O)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C1CNCCC1CN(C2=NC(=NC=C2)NC3CCNC3)C(=O)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C23H28N8O/c32-22(17-1-2-19-20(13-17)27-12-11-26-19)31(15-16-3-7-24-8-4-16)21-6-10-28-23(30-21)29-18-5-9-25-14-18/h1-2,6,10-13,16,18,24-25H,3-5,7-9,14-15H2,(H,28,29,30)