N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridylmethylcarbamoyl)phenyl]-4-methyl-3-nitro-benzamide Formula: C30H27N5O4 MolecularWeight: 521.56648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NCC5=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H27N5O4/c1-20-8-9-23(15-28(20)35(38)39)29(36)33-25-10-11-27(34-14-12-22-6-2-3-7-24(22)19-34)26(16-25)30(37)32-18-21-5-4-13-31-17-21/h2-11,13,15-17H,12,14,18-19H2,1H3,(H,32,37)(H,33,36)