2-(1-cyclohexylethylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one

Systemtic Name: 2-(1-cyclohexylethylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one Openeye Name: 2-(1-cyclohexylethylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one CAS Name: 2-(1-cyclohexylethylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one IUPAC Name: 2-(1-cyclohexylethylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one Traditional Name: 2-(1-cyclohexylethylamino)-9-cyclopentyl-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one Formula: C23H37N5O MolecularWeight: 399.57278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC2=NC=C3C(=N2)N(CC(C(=O)N3C)(C)C)C4CCCC4

Isomeric SMILES

CC(C1CCCCC1)NC2=NC=C3C(=N2)N(CC(C(=O)N3C)(C)C)C4CCCC4

InChI

InChI=1S/C23H37N5O/c1-16(17-10-6-5-7-11-17)25-22-24-14-19-20(26-22)28(18-12-8-9-13-18)15-23(2,3)21(29)27(19)4/h14,16-18H,5-13,15H2,1-4H3,(H,24,25,26)