1-methyl-3-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione

Systemtic Name: 1-methyl-3-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]methyl]-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione Openeye Name: 1-methyl-3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione CAS Name: 1-methyl-3-[[4-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]methyl]-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione IUPAC Name: 1-methyl-3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-6-(3-phenylprop-1-ynyl)quinazoline-2,4-dione Traditional Name: 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)benzyl]-6-(3-phenylprop-1-ynyl)quinazoline-2,4-quinone Formula: C31H30N4O3 MolecularWeight: 506.5949

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)C#CCC5=CC=CC=C5)N(C3=O)C

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)C#CCC5=CC=CC=C5)N(C3=O)C

InChI

InChI=1S/C31H30N4O3/c1-32-17-19-34(20-18-32)29(36)26-14-11-25(12-15-26)22-35-30(37)27-21-24(13-16-28(27)33(2)31(35)38)10-6-9-23-7-4-3-5-8-23/h3-5,7-8,11-16,21H,9,17-20,22H2,1-2H3