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

Systemtic Name: 7-chloranyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-chloro-1H-quinazolin-4-one Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4O/c22-17-7-8-18-19(13-17)23-20(24-21(18)27)15-26-10-4-9-25(11-12-26)14-16-5-2-1-3-6-16/h1-3,5-8,13H,4,9-12,14-15H2,(H,23,24,27)