1-(2-azanyl-3-methyl-butanoyl)-4-[3-(3-phenylpropylamino)propyl]isoquinoline-3-carbaldehyde

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-4-[3-(3-phenylpropylamino)propyl]isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3-methyl-butanoyl)-4-[3-(3-phenylpropylamino)propyl]isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-4-[3-(3-phenylpropylamino)propyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-amino-3-methylbutanoyl)-4-[3-(3-phenylpropylamino)propyl]isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3-methyl-butanoyl)-4-[3-(3-phenylpropylamino)propyl]isoquinoline-3-carbaldehyde Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCCNCCCC3=CC=CC=C3)C=O)N

Isomeric SMILES

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCCNCCCC3=CC=CC=C3)C=O)N

InChI

InChI=1S/C27H33N3O2/c1-19(2)25(28)27(32)26-23-14-7-6-13-21(23)22(24(18-31)30-26)15-9-17-29-16-8-12-20-10-4-3-5-11-20/h3-7,10-11,13-14,18-19,25,29H,8-9,12,15-17,28H2,1-2H3