N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CC=C(C=C2)CN3C=NC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]1NC(=O)C2=CC=C(C=C2)CN3C=NC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c27-21(19-8-6-18(7-9-19)13-26-16-22-15-23-26)24-20-10-11-25(14-20)12-17-4-2-1-3-5-17/h1-9,15-16,20H,10-14H2,(H,24,27)/t20-/m0/s1