7-chloranyl-5-(4-methylpiperazin-1-yl)-3-[(4-nitrophenyl)methyl]-1-(phenylmethyl)quinazoline-2,4-dione

Systemtic Name: 7-chloranyl-5-(4-methylpiperazin-1-yl)-3-[(4-nitrophenyl)methyl]-1-(phenylmethyl)quinazoline-2,4-dione Openeye Name: 1-benzyl-7-chloro-5-(4-methylpiperazin-1-yl)-3-[(4-nitrophenyl)methyl]quinazoline-2,4-dione CAS Name: 7-chloro-5-(4-methyl-1-piperazinyl)-3-[(4-nitrophenyl)methyl]-1-(phenylmethyl)quinazoline-2,4-dione IUPAC Name: 1-benzyl-7-chloro-5-(4-methylpiperazin-1-yl)-3-[(4-nitrophenyl)methyl]quinazoline-2,4-dione Traditional Name: 1-benzyl-7-chloro-5-(4-methylpiperazino)-3-(4-nitrobenzyl)quinazoline-2,4-quinone Formula: C27H26ClN5O4 MolecularWeight: 519.97944

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=CC(=C2)Cl)N(C(=O)N(C3=O)CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=CC(=C2)Cl)N(C(=O)N(C3=O)CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H26ClN5O4/c1-29-11-13-30(14-12-29)23-15-21(28)16-24-25(23)26(34)32(18-20-7-9-22(10-8-20)33(36)37)27(35)31(24)17-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17-18H2,1H3