2-(2-azanylethanoyl)-4-[(1-methylpiperidin-4-yl)-piperazin-1-yl-methoxy]-3-(1,3-thiazol-2-yl)benzaldehyde

Systemtic Name: 2-(2-azanylethanoyl)-4-[(1-methylpiperidin-4-yl)-piperazin-1-yl-methoxy]-3-(1,3-thiazol-2-yl)benzaldehyde Openeye Name: 2-(2-aminoacetyl)-4-[(1-methyl-4-piperidyl)-piperazin-1-yl-methoxy]-3-thiazol-2-yl-benzaldehyde CAS Name: 2-(2-amino-1-oxoethyl)-4-[(1-methyl-4-piperidinyl)-(1-piperazinyl)methoxy]-3-(2-thiazolyl)benzaldehyde IUPAC Name: 2-(2-aminoacetyl)-4-[(1-methylpiperidin-4-yl)-piperazin-1-ylmethoxy]-3-(1,3-thiazol-2-yl)benzaldehyde Traditional Name: 2-glycyl-4-[(1-methyl-4-piperidyl)-piperazino-methoxy]-3-thiazol-2-yl-benzaldehyde Formula: C23H31N5O3S MolecularWeight: 457.58894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(N2CCNCC2)OC3=C(C(=C(C=C3)C=O)C(=O)CN)C4=NC=CS4

Isomeric SMILES

CN1CCC(CC1)C(N2CCNCC2)OC3=C(C(=C(C=C3)C=O)C(=O)CN)C4=NC=CS4

InChI

InChI=1S/C23H31N5O3S/c1-27-9-4-16(5-10-27)23(28-11-6-25-7-12-28)31-19-3-2-17(15-29)20(18(30)14-24)21(19)22-26-8-13-32-22/h2-3,8,13,15-16,23,25H,4-7,9-12,14,24H2,1H3