N-[(E)-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[(E)-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[(E)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[(E)-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: [(E)-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C21H22N6 MolecularWeight: 358.43958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NN=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=NCC1)N/N=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6/c1-3-9-19(10-4-1)27-16-18(21(26-27)17-8-7-12-22-14-17)15-24-25-20-11-5-2-6-13-23-20/h1,3-4,7-10,12,14-16H,2,5-6,11,13H2,(H,23,25)/b24-15+