3-(2-methylpropyl)-1-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-(2-methylpropyl)-1-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-isobutyl-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-(2-methylpropyl)-1-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-(2-methylpropyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-isobutyl-1-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

CC(C)CC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C28H26N4O2/c1-19(2)16-23-28(34)32(18-21-17-26(33)31-15-9-8-14-25(31)29-21)24-13-7-6-12-22(24)27(30-23)20-10-4-3-5-11-20/h3-15,17,19,23H,16,18H2,1-2H3