4-azanyl-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-d][1,2]diazepin-9-one

Systemtic Name: 4-azanyl-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-d][1,2]diazepin-9-one Openeye Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-d]diazepin-9-one CAS Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-d]diazepin-9-one IUPAC Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-d]diazepin-9-one Traditional Name: 4-amino-8-cyclopentyl-6-(4-phenoxyphenyl)-7H-pyrimido[4,5-d]diazepin-9-one Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(C=C(N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(C=C(N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

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