(4S)-2-(2-ethylphenyl)-4-[[(2R)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(2-ethylphenyl)-4-[[(2R)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-ethylphenyl)-4-[[(2R)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-ethylphenyl)-4-[[(2R)-1-ethyl-2-pyrrolidinyl]methyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2-ethylphenyl)-4-[[(2R)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-ethylphenyl)-4-[[(2R)-1-ethylpyrrolidin-2-yl]methyliminomethyl]-4H-isoquinoline-1,3-quinone Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC4CCCN4CC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NC[C@H]4CCCN4CC

InChI

InChI=1S/C25H29N3O2/c1-3-18-10-5-8-14-23(18)28-24(29)21-13-7-6-12-20(21)22(25(28)30)17-26-16-19-11-9-15-27(19)4-2/h5-8,10,12-14,17,19,22H,3-4,9,11,15-16H2,1-2H3/t19-,22-/m1/s1