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

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-4-[3-[(phenylmethyl)amino]propyl]isoquinoline-3-carbaldehyde Openeye Name: 1-(2-amino-3-methyl-butanoyl)-4-[3-(benzylamino)propyl]isoquinoline-3-carbaldehyde CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-4-[3-[(phenylmethyl)amino]propyl]-3-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-amino-3-methylbutanoyl)-4-[3-(benzylamino)propyl]isoquinoline-3-carbaldehyde Traditional Name: 1-(2-amino-3-methyl-butanoyl)-4-[3-(benzylamino)propyl]isoquinoline-3-carbaldehyde Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCCNCC3=CC=CC=C3)C=O)N

Isomeric SMILES

CC(C)C(C(=O)C1=NC(=C(C2=CC=CC=C21)CCCNCC3=CC=CC=C3)C=O)N

InChI

InChI=1S/C25H29N3O2/c1-17(2)23(26)25(30)24-21-12-7-6-11-19(21)20(22(16-29)28-24)13-8-14-27-15-18-9-4-3-5-10-18/h3-7,9-12,16-17,23,27H,8,13-15,26H2,1-2H3