4-oxidanylidene-N-[3-[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]propyl]-1H-quinazoline-2-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-[(phenylmethyl)-pyridin-3-ylcarbonyl-amino]propyl]-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl(pyridine-3-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: 4-oxo-N-[3-[[oxo(3-pyridinyl)methyl]-(phenylmethyl)amino]propyl]-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl(pyridine-3-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl(nicotinoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H23N5O3/c31-23-20-11-4-5-12-21(20)28-22(29-23)24(32)27-14-7-15-30(17-18-8-2-1-3-9-18)25(33)19-10-6-13-26-16-19/h1-6,8-13,16H,7,14-15,17H2,(H,27,32)(H,28,29,31)