7-chloranyl-2-[1-(6,6-dimethyl-7-oxidanylidene-1,4-diazepan-1-yl)-2-methyl-propyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[1-(6,6-dimethyl-7-oxidanylidene-1,4-diazepan-1-yl)-2-methyl-propyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-[1-(6,6-dimethyl-7-oxo-1,4-diazepan-1-yl)-2-methyl-propyl]quinazolin-4-one CAS Name: 7-chloro-2-[1-(6,6-dimethyl-7-oxo-1,4-diazepan-1-yl)-2-methylpropyl]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-[1-(6,6-dimethyl-7-oxo-1,4-diazepan-1-yl)-2-methylpropyl]quinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-[1-(7-keto-6,6-dimethyl-1,4-diazepan-1-yl)-2-methyl-propyl]quinazolin-4-one Formula: C26H31ClN4O2 MolecularWeight: 467.00294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N4CCNCC(C4=O)(C)C

Isomeric SMILES

CC(C)C(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N4CCNCC(C4=O)(C)C

InChI

InChI=1S/C26H31ClN4O2/c1-17(2)22(30-13-12-28-16-26(3,4)25(30)33)23-29-21-14-19(27)10-11-20(21)24(32)31(23)15-18-8-6-5-7-9-18/h5-11,14,17,22,28H,12-13,15-16H2,1-4H3