4-(2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-4-yl)benzenecarbonitrile

Systemtic Name: 4-(2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-4-yl)benzenecarbonitrile Openeye Name: 4-[2-(1-piperidyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-4-yl]benzonitrile CAS Name: 4-[2-(1-piperidinyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-4-yl]benzonitrile IUPAC Name: 4-(2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-4-yl)benzonitrile Traditional Name: 4-(2-piperidino-6,7,8,9-tetrahydro-5H-pyrimid[5,4-c]azepin-4-yl)benzonitrile Formula: C20H23N5 MolecularWeight: 333.43012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=C3CNCCCC3=N2)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(CC1)C2=NC(=C3CNCCCC3=N2)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H23N5/c21-13-15-6-8-16(9-7-15)19-17-14-22-10-4-5-18(17)23-20(24-19)25-11-2-1-3-12-25/h6-9,22H,1-5,10-12,14H2