2-[1-[2-azanylethyl-(phenylmethyl)amino]-3-methyl-butan-2-yl]-7-chloranyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[1-[2-azanylethyl-(phenylmethyl)amino]-3-methyl-butan-2-yl]-7-chloranyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 2-[1-[[2-aminoethyl(benzyl)amino]methyl]-2-methyl-propyl]-3-benzyl-7-chloro-quinazolin-4-one CAS Name: 2-[1-[2-aminoethyl-(phenylmethyl)amino]-3-methylbutan-2-yl]-7-chloro-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-[1-[2-aminoethyl(benzyl)amino]-3-methylbutan-2-yl]-3-benzyl-7-chloroquinazolin-4-one Traditional Name: 2-[1-[[2-aminoethyl(benzyl)amino]methyl]-2-methyl-propyl]-3-benzyl-7-chloro-quinazolin-4-one Formula: C29H33ClN4O MolecularWeight: 489.05152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN(CCN)CC1=CC=CC=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(CN(CCN)CC1=CC=CC=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C29H33ClN4O/c1-21(2)26(20-33(16-15-31)18-22-9-5-3-6-10-22)28-32-27-17-24(30)13-14-25(27)29(35)34(28)19-23-11-7-4-8-12-23/h3-14,17,21,26H,15-16,18-20,31H2,1-2H3