1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-pyridylmethyl)-1,4-diazepane CAS Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-pyridylmethyl)-1,4-diazepane Formula: C21H25N5 MolecularWeight: 347.4567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=C(NN=C2)C3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)CC2=C(NN=C2)C3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C21H25N5/c1-2-7-18(8-3-1)21-19(15-23-24-21)16-25-11-6-12-26(14-13-25)17-20-9-4-5-10-22-20/h1-5,7-10,15H,6,11-14,16-17H2,(H,23,24)