4-azanyl-9-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-b][1,4]diazepin-8-one

Systemtic Name: 4-azanyl-9-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-b][1,4]diazepin-8-one Openeye Name: 4-amino-9-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-b][1,4]diazepin-8-one CAS Name: 4-amino-9-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-b][1,4]diazepin-8-one IUPAC Name: 4-amino-9-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-b][1,4]diazepin-8-one Traditional Name: 4-amino-9-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-b][1,4]diazepin-8-one Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)CC(=NC3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2C(=O)CC(=NC3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H23N5O2/c25-23-22-24(27-15-26-23)29(17-6-4-5-7-17)21(30)14-20(28-22)16-10-12-19(13-11-16)31-18-8-2-1-3-9-18/h1-3,8-13,15,17H,4-7,14H2,(H2,25,26,27)