cyclohexyl-[6-oxidanyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: cyclohexyl-[6-oxidanyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: cyclohexyl-[6-hydroxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: cyclohexyl-[6-hydroxy-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: cyclohexyl-[6-hydroxy-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: cyclohexyl-[6-hydroxy-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCC3=C(C2C4=CC=C(C=C4)OCCN5CCCC5)C=CC(=C3)O

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCC3=C(C2C4=CC=C(C=C4)OCCN5CCCC5)C=CC(=C3)O

InChI

InChI=1S/C28H36N2O3/c31-24-10-13-26-23(20-24)14-17-30(28(32)22-6-2-1-3-7-22)27(26)21-8-11-25(12-9-21)33-19-18-29-15-4-5-16-29/h8-13,20,22,27,31H,1-7,14-19H2