N-[3-[(2-chloranylpyridin-3-yl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(2-chloranylpyridin-3-yl)carbonyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl-(2-chloropyridine-3-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(2-chloro-3-pyridinyl)-oxomethyl]-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl-(2-chloropyridine-3-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl-(2-chloronicotinoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C25H22ClN5O3 MolecularWeight: 475.92688

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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=C(N=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN5O3/c26-21-19(11-6-13-27-21)25(34)31(16-17-8-2-1-3-9-17)15-7-14-28-24(33)22-29-20-12-5-4-10-18(20)23(32)30-22/h1-6,8-13H,7,14-16H2,(H,28,33)(H,29,30,32)