N-[3-(4-methylpiperazin-1-yl)propyl]-2,4-bis(oxidanylidene)-3-phenethyl-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2,4-bis(oxidanylidene)-3-phenethyl-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2,4-dioxo-3-phenethyl-1H-quinazoline-7-carboxamide CAS Name: N-[3-(4-methyl-1-piperazinyl)propyl]-2,4-dioxo-3-phenethyl-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(4-methylpiperazin-1-yl)propyl]-2,4-dioxo-3-phenethyl-1H-quinazoline-7-carboxamide Traditional Name: 2,4-diketo-N-[3-(4-methylpiperazino)propyl]-3-phenethyl-1H-quinazoline-7-carboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O3/c1-28-14-16-29(17-15-28)12-5-11-26-23(31)20-8-9-21-22(18-20)27-25(33)30(24(21)32)13-10-19-6-3-2-4-7-19/h2-4,6-9,18H,5,10-17H2,1H3,(H,26,31)(H,27,33)