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

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

Isomeric SMILES

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

InChI

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