4-[2-[(1-tert-butyl-5-methyl-pyrazol-3-yl)methyl]-1,2-diazepan-1-yl]naphthalene-1-carbonitrile

Systemtic Name: 4-[2-[(1-tert-butyl-5-methyl-pyrazol-3-yl)methyl]-1,2-diazepan-1-yl]naphthalene-1-carbonitrile Openeye Name: 4-[2-[(1-tert-butyl-5-methyl-pyrazol-3-yl)methyl]diazepan-1-yl]naphthalene-1-carbonitrile CAS Name: 4-[2-[(1-tert-butyl-5-methyl-3-pyrazolyl)methyl]-1-diazepanyl]-1-naphthalenecarbonitrile IUPAC Name: 4-[2-[(1-tert-butyl-5-methylpyrazol-3-yl)methyl]diazepan-1-yl]naphthalene-1-carbonitrile Traditional Name: 4-[2-[(1-tert-butyl-5-methyl-pyrazol-3-yl)methyl]diazepan-1-yl]naphthalene-1-carbonitrile Formula: C25H31N5 MolecularWeight: 401.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)(C)C)CN2CCCCCN2C3=CC=C(C4=CC=CC=C43)C#N

Isomeric SMILES

CC1=CC(=NN1C(C)(C)C)CN2CCCCCN2C3=CC=C(C4=CC=CC=C43)C#N

InChI

InChI=1S/C25H31N5/c1-19-16-21(27-30(19)25(2,3)4)18-28-14-8-5-9-15-29(28)24-13-12-20(17-26)22-10-6-7-11-23(22)24/h6-7,10-13,16H,5,8-9,14-15,18H2,1-4H3