4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzenecarbonitrile

Systemtic Name: 4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzenecarbonitrile Openeye Name: 4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzonitrile CAS Name: 4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzonitrile IUPAC Name: 4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)benzonitrile Traditional Name: 4-(2-cyclopentyl-6,7,8,9-tetrahydro-5H-pyrimid[4,5-d]azepin-4-yl)benzonitrile Formula: C20H22N4 MolecularWeight: 318.41548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=C3CCNCCC3=N2)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C1)C2=NC(=C3CCNCCC3=N2)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H22N4/c21-13-14-5-7-15(8-6-14)19-17-9-11-22-12-10-18(17)23-20(24-19)16-3-1-2-4-16/h5-8,16,22H,1-4,9-12H2