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

Systemtic Name: N-[3-[4-chloranylbutanoyl-(phenylmethyl)amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[benzyl(4-chlorobutanoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[(4-chloro-1-oxobutyl)-(phenylmethyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[benzyl(4-chlorobutanoyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[benzyl(4-chlorobutanoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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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)CCCCl

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O3/c24-13-6-12-20(29)28(16-17-8-2-1-3-9-17)15-7-14-25-23(31)21-26-19-11-5-4-10-18(19)22(30)27-21/h1-5,8-11H,6-7,12-16H2,(H,25,31)(H,26,27,30)