1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-nitro-1-(phenylmethyl)indol-3-yl]-3-phenyl-propan-1-one Openeye Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-nitro-1-(phenylmethyl)-3-indolyl]-3-phenyl-1-propanone IUPAC Name: 3-(1-benzyl-5-nitroindol-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one Traditional Name: 3-(1-benzyl-5-nitro-indol-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenyl-propan-1-one Formula: C33H29N3O3 MolecularWeight: 515.60166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC(C3=CC=CC=C3)C4=CN(C5=C4C=C(C=C5)[N+](=O)[O-])CC6=CC=CC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC(C3=CC=CC=C3)C4=CN(C5=C4C=C(C=C5)[N+](=O)[O-])CC6=CC=CC=C6

InChI

InChI=1S/C33H29N3O3/c37-33(34-18-17-25-11-7-8-14-27(25)22-34)20-29(26-12-5-2-6-13-26)31-23-35(21-24-9-3-1-4-10-24)32-16-15-28(36(38)39)19-30(31)32/h1-16,19,23,29H,17-18,20-22H2