4-[(1-prop-2-ynylazepan-2-yl)methyl]aniline

Systemtic Name: 4-[(1-prop-2-ynylazepan-2-yl)methyl]aniline Openeye Name: 4-[(1-prop-2-ynylazepan-2-yl)methyl]aniline CAS Name: 4-[(1-prop-2-ynyl-2-azepanyl)methyl]aniline IUPAC Name: 4-[(1-prop-2-ynylazepan-2-yl)methyl]aniline Traditional Name: [4-[(1-propargylazepan-2-yl)methyl]phenyl]amine Formula: C16H22N2 MolecularWeight: 242.35928

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCCCCC1CC2=CC=C(C=C2)N

Isomeric SMILES

C#CCN1CCCCCC1CC2=CC=C(C=C2)N

InChI

InChI=1S/C16H22N2/c1-2-11-18-12-5-3-4-6-16(18)13-14-7-9-15(17)10-8-14/h1,7-10,16H,3-6,11-13,17H2