2-[2-[4-(quinazolin-4-ylamino)cyclohexyl]ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile hydrochloride

Systemtic Name: 2-[2-[4-(quinazolin-4-ylamino)cyclohexyl]ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile hydrochloride Openeye Name: 2-[2-[4-(quinazolin-4-ylamino)cyclohexyl]ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile hydrochloride CAS Name: 2-[2-[4-(4-quinazolinylamino)cyclohexyl]ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile hydrochloride IUPAC Name: 2-[2-[4-(quinazolin-4-ylamino)cyclohexyl]ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile hydrochloride Traditional Name: 2-[2-[4-(quinazolin-4-ylamino)cyclohexyl]ethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile hydrochloride Formula: C26H30ClN5 MolecularWeight: 448.0029

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC4=NC=NC5=CC=CC=C54.Cl

Isomeric SMILES

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC4=NC=NC5=CC=CC=C54.Cl

InChI

InChI=1S/C26H29N5.ClH/c27-16-20-5-8-22-17-31(14-12-21(22)15-20)13-11-19-6-9-23(10-7-19)30-26-24-3-1-2-4-25(24)28-18-29-26;/h1-5,8,15,18-19,23H,6-7,9-14,17H2,(H,28,29,30);1H