6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyrimidin-4-one Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyrimidin-4-one CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyrimidin-4-one IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyrimidin-4-one Traditional Name: 6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-[4-(2-nitrobenzyl)-1,4-diazepan-1-yl]-1H-pyrimidin-4-one Formula: C26H30N6O3 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC(=O)C=C(N2)CN3CCC4=CC=CC=C4C3)CC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=NC(=O)C=C(N2)CN3CCC4=CC=CC=C4C3)CC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C26H30N6O3/c33-25-16-23(19-30-13-10-20-6-1-2-7-21(20)17-30)27-26(28-25)31-12-5-11-29(14-15-31)18-22-8-3-4-9-24(22)32(34)35/h1-4,6-9,16H,5,10-15,17-19H2,(H,27,28,33)