7-bromanyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-bromopyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-bromo-pyrido[1,2-a]pyrimidin-4-one Formula: C21H23BrN4O MolecularWeight: 427.33752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC(=O)N3C=C(C=CC3=N2)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=CC(=O)N3C=C(C=CC3=N2)Br)CC4=CC=CC=C4

InChI

InChI=1S/C21H23BrN4O/c22-18-7-8-20-23-19(13-21(27)26(20)15-18)16-25-10-4-9-24(11-12-25)14-17-5-2-1-3-6-17/h1-3,5-8,13,15H,4,9-12,14,16H2