4-oxidanylidene-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-2-13-27-23(29)20-11-7-6-10-19(20)21(25-27)22(28)24-18-12-14-26(16-18)15-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,24,28)/t18-/m0/s1