6-(aziridin-1-ylmethyl)-9-[4-(morpholin-4-ylmethyl)phenyl]-2H-benzo[h]isoquinolin-1-one

Systemtic Name: 6-(aziridin-1-ylmethyl)-9-[4-(morpholin-4-ylmethyl)phenyl]-2H-benzo[h]isoquinolin-1-one Openeye Name: 6-(aziridin-1-ylmethyl)-9-[4-(morpholinomethyl)phenyl]-2H-benzo[h]isoquinolin-1-one CAS Name: 6-(1-aziridinylmethyl)-9-[4-(4-morpholinylmethyl)phenyl]-2H-benzo[h]isoquinolin-1-one IUPAC Name: 6-(aziridin-1-ylmethyl)-9-[4-(morpholin-4-ylmethyl)phenyl]-2H-benzo[h]isoquinolin-1-one Traditional Name: 6-(ethyleniminomethyl)-9-[4-(morpholinomethyl)phenyl]-2H-benz[h]isoquinolin-1-one Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1CC2=C3C=CC(=CC3=C4C(=C2)C=CNC4=O)C5=CC=C(C=C5)CN6CCOCC6

Isomeric SMILES

C1CN1CC2=C3C=CC(=CC3=C4C(=C2)C=CNC4=O)C5=CC=C(C=C5)CN6CCOCC6

InChI

InChI=1S/C27H27N3O2/c31-27-26-22(7-8-28-27)15-23(18-29-9-10-29)24-6-5-21(16-25(24)26)20-3-1-19(2-4-20)17-30-11-13-32-14-12-30/h1-8,15-16H,9-14,17-18H2,(H,28,31)