1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(3-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=CN=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=C(NN=C2)C3=CC=CC=C3)CC4=CN=CC=C4

InChI

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