6-(4-methylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]pyridine-3-carboxamide

Systemtic Name: 6-(4-methylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]pyridine-3-carboxamide Openeye Name: 6-(p-tolyl)-N-[2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]pyridine-3-carboxamide CAS Name: 6-(4-methylphenyl)-N-[2-(1-pyrrolidinylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-3-pyridinecarboxamide IUPAC Name: 6-(4-methylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]pyridine-3-carboxamide Traditional Name: 6-(p-tolyl)-N-[2-(pyrrolidinomethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]nicotinamide Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(CN4)CN5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(CN4)CN5CCCC5

InChI

InChI=1S/C26H28N4O2/c1-18-4-6-19(7-5-18)23-10-8-20(15-27-23)26(31)29-21-9-11-25-24(14-21)28-16-22(32-25)17-30-12-2-3-13-30/h4-11,14-15,22,28H,2-3,12-13,16-17H2,1H3,(H,29,31)