1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyrimidin-2-yl-1,4-diazepane

Systemtic Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyrimidin-2-yl-1,4-diazepane Openeye Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyrimidin-2-yl-1,4-diazepane CAS Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(2-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyrimidin-2-yl-1,4-diazepane Traditional Name: 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(2-pyrimidyl)-1,4-diazepane Formula: C17H26N6 MolecularWeight: 314.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CCCN2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=NN1)C)CCCN2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H26N6/c1-14-16(15(2)21-20-14)6-3-9-22-10-5-11-23(13-12-22)17-18-7-4-8-19-17/h4,7-8H,3,5-6,9-13H2,1-2H3,(H,20,21)