3-(4-ethoxyphenyl)-4-oxidanyl-2-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1H-quinazoline-4-carboxamide

Systemtic Name: 3-(4-ethoxyphenyl)-4-oxidanyl-2-oxidanylidene-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-1H-quinazoline-4-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-1H-quinazoline-4-carboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-4-hydroxy-2-keto-3-p-phenetyl-1H-quinazoline-4-carboxamide Formula: C31H37N5O4 MolecularWeight: 543.65658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCCN4CCN(CC4)CC5=CC=CC=C5)O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)NC3=CC=CC=C3C2(C(=O)NCCCN4CCN(CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C31H37N5O4/c1-2-40-26-15-13-25(14-16-26)36-30(38)33-28-12-7-6-11-27(28)31(36,39)29(37)32-17-8-18-34-19-21-35(22-20-34)23-24-9-4-3-5-10-24/h3-7,9-16,39H,2,8,17-23H2,1H3,(H,32,37)(H,33,38)