7-chloranyl-2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(2-methylbenzyl)-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H25ClN4O MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4O/c1-16-5-2-3-6-17(16)14-26-9-4-10-27(12-11-26)15-21-24-20-13-18(23)7-8-19(20)22(28)25-21/h2-3,5-8,13H,4,9-12,14-15H2,1H3,(H,24,25,28)