2-[(4-methoxyphenyl)methyl]-9,10-dimethyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-9,10-dimethyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Openeye Name: 2-[(4-methoxyphenyl)methyl]-9,10-dimethyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one CAS Name: 2-[(4-methoxyphenyl)methyl]-9,10-dimethyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one IUPAC Name: 2-[(4-methoxyphenyl)methyl]-9,10-dimethyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Traditional Name: 9,10-dimethyl-2-p-anisyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C3=NC(=NC=C3CC(=O)N2)CC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C3=NC(=NC=C3CC(=O)N2)CC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C22H21N3O2/c1-13-8-18-19(9-14(13)2)24-21(26)11-16-12-23-20(25-22(16)18)10-15-4-6-17(27-3)7-5-15/h4-9,12H,10-11H2,1-3H3,(H,24,26)