N-cyano-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: N-cyano-N'-[2-oxidanylidene-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)azepan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: N-cyano-N'-[2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-azepanyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: N-cyano-N'-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: N-cyano-N'-[2-keto-1-(2-keto-2-pyrrolidino-ethyl)azepan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)N=C(NC#N)N2CCC3=CC=CC=C3C2)CC(=O)N4CCCC4

Isomeric SMILES

C1CCN(C(=O)C(C1)N=C(NC#N)N2CCC3=CC=CC=C3C2)CC(=O)N4CCCC4

InChI

InChI=1S/C23H30N6O2/c24-17-25-23(29-14-10-18-7-1-2-8-19(18)15-29)26-20-9-3-4-13-28(22(20)31)16-21(30)27-11-5-6-12-27/h1-2,7-8,20H,3-6,9-16H2,(H,25,26)